2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C6H13O3P — CID 58422993

IUPAC2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCCC(C)O1
InChIInChI=1S/C6H13O3P/c1-3-10(7)8-5-4-6(2)9-10/h6H,3-5H2,1-2H3
InChIKeyCLKANCXTGZEZJL-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.02
Rot. Bonds1

About 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 58422993) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID58422993
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCCC(C)O1
InChIInChI=1S/C6H13O3P/c1-3-10(7)8-5-4-6(2)9-10/h6H,3-5H2,1-2H3
InChIKeyCLKANCXTGZEZJL-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-bromo-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23419061
4-[(4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]oxetan-2-one
CID 20501260
4-methyl-2-methylselanyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 13204288
[(2R,4S)-4-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl] thiohypochlorite
CID 12654512
(2S,4S)-4-methyl-2-(trifluoromethylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416371
(4S)-4-methyl-2-oxido-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 23416384
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
CID 11899665
1-[(4R,6R)-4,6-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]propan-2-one
CID 10465562
N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
CID 15711491
2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 141410723

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 58422993) is 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCP1(=O)OCCC(C)O1.
What is the InChIKey of 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is CLKANCXTGZEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-3-10(7)8-5-4-6(2)9-10/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 164.14 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 58422993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).